# generated using pymatgen data_Nb3Ni3C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.06035404 _cell_length_b 8.06035404 _cell_length_c 8.06035404 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb3Ni3C _chemical_formula_sum 'Nb12 Ni12 C4' _cell_volume 370.29458066 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.80442400 0.80442400 0.19557600 1.0 Nb Nb1 1 0.19557600 0.19557600 0.80442400 1.0 Nb Nb2 1 0.80442400 0.19557600 0.80442400 1.0 Nb Nb3 1 0.19557600 0.80442400 0.19557600 1.0 Nb Nb4 1 0.19557600 0.80442400 0.80442400 1.0 Nb Nb5 1 0.80442400 0.19557600 0.19557600 1.0 Nb Nb6 1 0.44557600 0.44557600 0.05442400 1.0 Nb Nb7 1 0.05442400 0.05442400 0.44557600 1.0 Nb Nb8 1 0.44557600 0.05442400 0.44557600 1.0 Nb Nb9 1 0.05442400 0.44557600 0.05442400 1.0 Nb Nb10 1 0.05442400 0.44557600 0.44557600 1.0 Nb Nb11 1 0.44557600 0.05442400 0.05442400 1.0 Ni Ni12 1 0.12500000 0.62500000 0.62500000 1.0 Ni Ni13 1 0.62500000 0.12500000 0.62500000 1.0 Ni Ni14 1 0.62500000 0.62500000 0.12500000 1.0 Ni Ni15 1 0.62500000 0.62500000 0.62500000 1.0 Ni Ni16 1 0.74064000 0.41978700 0.41978700 1.0 Ni Ni17 1 0.41978700 0.74064000 0.41978700 1.0 Ni Ni18 1 0.41978700 0.41978700 0.74064000 1.0 Ni Ni19 1 0.41978700 0.41978700 0.41978700 1.0 Ni Ni20 1 0.50936000 0.83021300 0.83021300 1.0 Ni Ni21 1 0.83021300 0.50936000 0.83021300 1.0 Ni Ni22 1 0.83021300 0.83021300 0.50936000 1.0 Ni Ni23 1 0.83021300 0.83021300 0.83021300 1.0 C C24 1 0.62500000 0.12500000 0.12500000 1.0 C C25 1 0.12500000 0.62500000 0.12500000 1.0 C C26 1 0.12500000 0.12500000 0.62500000 1.0 C C27 1 0.12500000 0.12500000 0.12500000 1.0